UCSF

ZINC34540695

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 3.83 -3.69 0 4 0 25 284.444 8
Mid Mid (pH 6-8) 2.36 5.85 -35.94 1 4 1 26 285.452 8
Mid Mid (pH 6-8) 2.36 6.09 -36.36 1 4 1 26 285.452 8
Mid Mid (pH 6-8) 2.36 8.12 -80.87 2 4 2 27 286.46 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )